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100957-85-5,MFCD02090479
Catalog No.:AA00037Z

100957-85-5 | 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$87.00   $61.00
- +
5g
96%
in stock  
$286.00   $200.00
- +
10g
96%
in stock  
$452.00   $317.00
- +
25g
96%
in stock  
$984.00   $689.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00037Z
Chemical Name:
1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
CAS Number:
100957-85-5
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD02090479
SMILES:
OC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.4  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2011,vol.54,p.7713-7719

51640-52-9    100957-85-5   
1-benzyl-3-tert-butyl-N-(5-cyanothiazol-2-yl)-1H-pyrazole-5-carboxamide 

[1]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.5207-5211

Literature

Title: Shawn J Stachel, et al. Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127403.

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SDS
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Tags:100957-85-5 Molecular Formula|100957-85-5 MDL|100957-85-5 SMILES|100957-85-5 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid